NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 41 S 4.3012 8.3349 115.3947 57.0243 64.2691 173.3090 42 P 3.9653 0.0000 0.0000 61.9355 31.2253 174.8350 43 L 3.9786 9.1833 125.5756 54.4341 42.4283 176.1277 44 P 4.5039 0.0000 0.0000 61.5079 29.2611 176.0721 45 T 3.8855 7.5066 113.4698 60.9977 70.0293 175.8527 46 R 4.1293 8.0366 120.3338 58.5558 30.1922 176.6958 47 R 4.5241 7.8236 115.4379 56.4551 30.0427 177.0063 48 T 4.6114 7.5962 112.7746 63.4749 72.9284 174.3834 49 R 3.9205 7.5259 121.4168 56.1482 30.4381 176.8716 50 T 4.0467 8.6183 116.1285 61.8043 70.7220 174.5064 51 F 3.8940 8.8927 125.6578 61.7864 39.4614 178.1360 52 S 4.1796 8.4025 112.9182 61.3039 63.1457 175.5719 53 A 3.9955 7.9250 124.7084 55.5492 18.0701 179.8774 54 T 3.8190 8.2079 114.2282 66.6265 68.2497 177.3613 55 V 3.4844 7.1871 118.9447 65.7738 31.8142 178.0517 56 R 4.0261 8.3698 118.0391 59.1631 30.0802 178.4718 57 A 4.1465 7.8789 120.7726 55.6016 18.1777 179.9411 58 S 4.1546 7.9375 110.4575 60.9995 63.0132 175.6906 59 Q 4.4102 7.7731 120.2480 56.0331 29.1761 175.7731 60 G 3.8157 7.4652 108.4210 44.4380 0.0000 171.1119 61 P 4.2831 0.0000 0.0000 61.9607 31.9762 175.9232 62 V 3.9496 7.6467 119.5614 61.8748 32.5160 174.6101 63 Y 4.6630 8.3879 125.5216 56.2989 40.7761 174.8586 64 K 4.9124 8.3664 120.8912 55.7513 34.8988 175.9143 65 G 4.4015 8.7946 109.3689 46.1385 0.0000 171.8633 66 V 5.0004 8.7853 119.1409 60.7541 35.1624 174.4412 67 C 4.4770 9.1871 128.1458 59.6700 31.7237 173.8829 68 K 4.0427 8.6278 128.9910 59.1542 32.2462 176.4409 69 C 4.9893 7.7627 118.5043 57.8885 35.7535 172.2890 70 F 4.7740 8.3832 121.3613 57.7954 41.9704 172.5117 71 C 4.2855 7.9053 128.0934 57.5583 32.1535 173.9726 72 R 3.7978 8.5835 127.6060 59.7433 29.4296 178.0098 73 S 4.2023 7.9149 110.9171 60.2473 63.2456 175.3061 74 K 4.3161 7.1942 121.9269 56.2799 32.8085 177.5228 75 G 3.9511 9.3558 107.0703 45.0153 0.0000 171.6820 76 H 5.4262 7.1110 114.1935 55.0923 32.7967 171.2862 77 G 4.4286 7.5999 102.2220 46.4552 0.0000 172.3196 78 F 5.2797 8.3996 117.5134 55.8271 44.2823 174.1264 79 I 4.7917 8.5847 119.8690 59.9648 41.0930 175.0442 80 T 4.6818 9.1918 124.8419 62.2157 69.1591 172.6972 81 P 4.7390 0.0000 0.0000 62.9591 32.1201 176.3274 82 A 4.2407 8.9509 124.9404 51.3305 20.3062 176.8026 83 D 4.4874 9.1238 115.0333 55.9135 38.5791 174.6953 84 G 3.6561 7.5408 103.4553 45.7513 0.0000 173.9765 85 G 4.0199 7.9887 109.6166 44.1090 0.0000 170.1607 86 P 4.3990 0.0000 0.0000 62.4674 31.7612 176.0241 87 D 4.7722 8.5254 120.8151 54.7409 41.8317 175.6017 88 I 4.4037 8.7527 123.9478 59.8400 39.1029 175.3050 89 F 3.7713 8.8314 129.6124 58.0216 40.8139 173.6331 90 L 4.8291 6.8666 126.0443 53.5240 45.2269 174.2934 91 H 5.1377 8.6794 125.8007 54.2043 31.7907 175.1716 92 I 3.9378 9.3278 126.7020 64.1958 38.0016 178.0245 93 S 4.1688 8.3145 113.3659 60.4955 63.3414 174.3279 94 D 4.6740 8.3439 120.2294 54.1513 40.9746 176.0192 95 V 4.3619 7.2565 119.9955 61.8059 32.6816 174.9447 96 E 4.6487 8.8921 125.1717 55.4486 32.3393 175.6498 97 G 4.4154 8.9526 109.3645 44.1597 0.0000 174.5417 98 E 4.0095 8.9201 117.0150 58.5019 29.7839 176.1754 99 Y 4.7032 7.0908 116.8698 56.4757 39.5135 175.5670 100 V 2.9118 8.3466 124.0531 61.4890 32.1342 174.3265 101 P 4.5956 0.0000 0.0000 62.6539 32.2508 175.9093 102 V 4.5104 8.4602 120.0506 60.7413 34.8425 174.5526 103 E 4.3348 8.7498 124.6249 58.5283 29.5976 177.7908 104 G 3.9962 9.0282 112.5601 44.9393 0.0000 173.3725 105 D 4.6555 8.0811 120.8496 54.2535 42.1492 175.2323 106 E 4.8222 9.1827 124.6063 55.8262 31.2883 175.4881 107 V 5.2157 9.1650 118.7023 60.0455 36.7974 174.0902 108 T 5.3528 8.7831 112.9227 60.4670 71.8603 172.4116 109 Y 5.3295 8.5327 120.4826 56.2903 41.9184 173.3079 110 K 4.9571 9.0785 119.8764 55.1461 35.1013 175.5228 111 M 5.1107 8.8374 122.3736 54.9078 33.5051 175.9362 112 C 4.5370 9.0680 122.6371 57.9476 34.3823 173.1878 113 S 4.3480 8.8992 121.3663 58.8629 62.3356 174.5558 114 I 4.3739 8.0999 125.6266 60.9559 39.8630 177.4153 *117 K 4.5344 8.5579 119.8563 58.0474 33.6339 175.4353 118 N 5.1131 9.5331 131.0243 54.0098 39.2248 176.3619 119 E 4.5195 8.8015 125.5794 58.3509 31.6346 175.6761 120 K 4.3982 7.1773 116.9088 53.6335 34.3076 175.3160 121 L 5.0653 8.6416 122.0267 53.0440 45.3171 175.2396 122 Q 5.2169 8.6097 121.8759 54.3154 32.7602 173.6105 123 A 5.3608 8.5383 125.3715 50.5555 21.0255 176.6660 124 V 4.4222 9.0302 114.0817 59.2497 36.4584 175.0001 125 E 4.5893 8.3590 118.4029 56.6245 26.7850 175.4272 126 V 4.4877 7.8821 118.8568 61.6867 33.8062 175.5411 127 V 4.7840 8.7325 128.0844 60.9263 34.4428 174.4212 128 I 4.4226 8.5222 129.1841 61.8788 37.0439 175.5192 129 T 4.2975 9.0363 118.4086 63.5066 70.1284 175.1291 130 H 4.9059 7.8722 118.6724 53.2378 32.6718 172.6562 131 L 4.5595 8.4958 122.7579 53.8725 42.1009 176.4517 132 A 4.1649 9.0520 126.2576 51.2160 19.2419 175.3861 133 P 4.3792 0.0000 0.0000 63.8182 32.3399 175.4502 134 G 4.3054 9.0421 115.0415 46.7522 0.0000 174.7891 135 T 4.0739 6.7144 112.3548 62.3860 69.0574 174.5171 136 K 4.1573 8.2928 123.2865 56.5135 32.8217 176.3764 137 H 4.9155 8.5535 120.3208 53.9725 30.9333 173.5073 138 E 4.9575 8.5032 123.4145 54.6061 33.0956 174.7310 139 T 4.5174 8.2614 114.8713 59.8141 70.8425 174.4024 140 W 4.3770 7.5457 122.8558 58.0642 30.0120 176.7337 141 S 4.3709 8.8526 115.8571 58.8459 62.9076 169.2982 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 41 S 8.33 4.30 0.00 3.80 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 3.97 0.00 2.10 2.02 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 43 L 9.18 3.98 0.00 1.65 1.73 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.50 0.00 2.23 1.99 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 45 T 7.51 3.89 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 46 R 8.04 4.13 0.00 2.00 1.97 0.00 3.24 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 47 R 7.82 4.52 0.00 1.82 1.91 0.00 3.39 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 48 T 7.60 4.61 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 49 R 7.53 3.92 0.00 1.81 1.85 0.00 3.28 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 50 T 8.62 4.05 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 51 F 8.89 3.89 0.00 3.12 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.40 4.18 0.00 4.17 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.92 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.21 3.82 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 55 V 7.19 3.48 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.41 0.00 0.00 56 R 8.37 4.03 0.00 1.87 1.97 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.93 0.00 57 A 7.88 4.15 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.94 4.15 0.00 4.02 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.77 4.41 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 60 G 7.47 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.28 0.00 1.34 1.73 0.00 3.55 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 62 V 7.65 3.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.81 0.00 0.00 63 Y 8.39 4.66 0.00 1.45 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.37 4.91 0.00 1.73 1.78 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.39 7.81 65 G 8.79 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.79 5.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 67 C 9.19 4.48 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.63 4.04 0.00 1.80 1.88 0.00 1.88 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.38 7.81 69 C 7.76 4.99 0.00 3.10 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.38 4.77 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 7.91 4.29 0.00 2.85 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.58 3.80 0.00 2.08 1.94 0.00 3.76 0.00 0.00 3.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 73 S 7.91 4.20 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.19 4.32 0.00 1.86 1.87 0.00 1.54 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.37 7.81 75 G 9.36 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 7.11 5.43 0.00 2.55 3.30 0.00 5.50 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.60 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.40 5.28 0.00 2.95 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.58 4.79 1.56 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.64 0.66 0.00 0.00 80 T 9.19 4.68 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 81 P 0.00 4.74 0.00 1.97 2.07 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 82 A 8.95 4.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 9.12 4.49 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.54 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.40 0.00 2.23 2.09 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 87 D 8.53 4.77 0.00 2.69 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.75 4.40 1.65 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.90 0.95 0.00 0.00 89 F 8.83 3.77 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 6.87 4.83 0.00 1.53 1.24 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.68 5.14 0.00 3.43 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 9.33 3.94 2.23 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.46 0.87 0.00 0.00 93 S 8.31 4.17 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.34 4.67 0.00 2.90 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.26 4.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.89 0.00 0.00 96 E 8.89 4.65 0.00 2.28 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 97 G 8.95 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.92 4.01 0.00 1.92 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.58 0.00 99 Y 7.09 4.70 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.35 2.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 -0.03 0.00 0.00 101 P 0.00 4.60 0.00 1.42 1.70 0.00 2.85 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.79 0.00 102 V 8.46 4.51 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.97 0.00 0.00 103 E 8.75 4.33 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 104 G 9.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.08 4.66 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 9.18 4.82 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 107 V 9.16 5.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.02 0.00 0.00 108 T 8.78 5.35 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 109 Y 8.53 5.33 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 9.08 4.96 0.00 1.77 1.77 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.39 7.81 111 M 8.84 5.11 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.71 0.00 112 C 9.07 4.54 0.00 2.99 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.90 4.35 0.00 3.95 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.10 4.37 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.91 0.86 0.00 0.00 *117 K 8.56 4.53 0.00 1.89 1.90 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.41 7.81 118 N 9.53 5.11 0.00 2.47 1.91 0.00 0.00 6.75 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.80 4.52 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 120 K 7.18 4.40 0.00 1.67 1.71 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.45 7.81 121 L 8.64 5.07 0.00 1.60 1.56 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.61 5.22 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 123 A 8.54 5.36 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 9.03 4.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.06 0.00 0.00 125 E 8.36 4.59 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 126 V 7.88 4.49 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.03 0.00 0.00 127 V 8.73 4.78 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.96 0.00 0.00 128 I 8.52 4.42 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 0.83 0.00 0.00 129 T 9.04 4.30 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 130 H 7.87 4.91 0.00 3.23 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.50 4.56 0.00 1.36 1.19 0.56 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 132 A 9.05 4.16 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.38 0.00 2.04 1.98 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 134 G 9.04 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 6.71 4.07 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 136 K 8.29 4.16 0.00 1.71 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.39 7.81 137 H 8.55 4.92 0.00 2.99 2.93 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.50 4.96 0.00 1.99 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 139 T 8.26 4.52 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 140 W 7.55 4.38 0.00 3.20 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.85 4.37 0.00 4.21 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.